HMDB0009264 RDKit 3D PE(20:1(11Z)/20:2(11Z,14Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -9.0431 -2.9583 6.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3800 -2.6659 4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6137 -3.3792 3.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1561 -3.1749 3.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3071 -3.5410 4.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8967 -3.3145 4.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1233 -2.4791 4.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3494 -1.6113 6.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 -1.7155 7.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6657 -2.5775 7.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2337 -3.6776 6.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -3.6172 6.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5238 -4.8320 5.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3893 -4.9471 4.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 -6.2021 3.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8749 -6.3869 2.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -5.7068 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 -4.2661 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1174 -3.8139 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1231 -2.3616 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 -1.9544 1.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -1.4892 0.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 -0.1320 0.1387 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4506 0.8058 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4137 0.8350 2.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2431 1.7456 2.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9642 2.4383 2.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 2.0135 4.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 2.0534 5.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1596 3.0371 4.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5223 2.7293 3.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7209 3.6398 3.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 3.0226 2.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 3.7415 1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 2.9060 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 3.5700 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 2.6652 -1.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 2.8471 -2.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 4.0342 -3.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2589 4.7365 -4.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 3.7876 -5.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8054 3.2065 -6.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5817 2.3077 -7.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7416 1.5974 -8.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7254 0.7692 -8.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 -0.2010 -8.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 0.0883 -1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2417 1.3815 -1.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 1.6049 -3.4100 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6318 1.4061 -3.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 0.4220 -4.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 3.1021 -3.8897 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6961 4.0563 -3.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 5.4121 -4.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 5.4163 -5.6663 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0274 -2.9462 6.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4601 -2.1560 6.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6056 -3.9719 6.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2072 -1.5719 4.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4886 -2.8147 4.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8140 -4.4823 3.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0594 -3.0809 2.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7314 -3.6408 2.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9855 -2.0570 3.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3911 -4.6643 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5755 -3.0644 5.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5449 -3.9097 3.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 -2.4261 4.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3681 -0.5035 5.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 -1.7004 6.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -0.9532 8.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 -2.4948 8.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9495 -4.1242 6.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 -4.5705 7.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6079 -2.7272 5.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 -3.6540 7.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6054 -5.7250 6.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -4.7809 5.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4812 -5.0364 4.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 -4.0621 3.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 -6.2606 3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 -7.0464 4.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 -7.5491 2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9975 -6.3072 2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -6.3081 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5976 -6.0415 0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 -4.0408 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -3.6863 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 -4.1636 2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 -4.3016 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5234 0.0485 0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2891 1.8222 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5303 0.5865 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9835 3.0017 4.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2056 1.2783 4.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 1.0144 5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 2.3338 6.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 2.9926 5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 4.0681 5.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 1.6940 3.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2198 2.9903 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 4.6681 3.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 3.6984 4.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 2.9049 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 1.9488 2.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 3.7785 2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 4.7206 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 2.6246 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3869 1.9423 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9584 3.7071 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7909 4.5371 -0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1153 1.7198 -0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1594 2.0624 -3.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 4.8045 -2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3951 3.7262 -4.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 5.5928 -4.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 5.1254 -3.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5823 4.3534 -5.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 2.9786 -4.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 4.0505 -6.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 2.6860 -5.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2756 2.9741 -7.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1972 1.6399 -6.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9961 0.8983 -7.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2129 2.3129 -8.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4699 1.4553 -9.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1631 0.2270 -9.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5424 -1.1683 -8.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5272 0.1202 -7.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9911 -0.4124 -7.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 -0.1429 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 -0.6633 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0712 0.6250 -4.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9857 4.1942 -2.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 3.7845 -4.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 5.8865 -3.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1468 6.0599 -4.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 5.6572 -5.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 4.6012 -6.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 1 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 51133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 M END